UCSF

ZINC01269903

Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 2004 26 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.88 4.81 -43.87 4 5 1 82 385.9 6
Hi High (pH 8-9.5) 1.88 4.5 -9.08 3 5 0 81 384.892 6

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )